Information card for entry 1568498

Structure parameters

• Formula: C33 H33 N3 O
• Calculated formula: C33 H34 N3 O
• Title of publication: Asymmetric and zwitterionic Blatter diradicals.
• Authors of publication: Miao, Fang; Ji, Yu; Han, Bo; Quintero, Sergio Moles; Chen, Hanjiao; Xue, Guodong; Cai, Lulu; Casado, Juan; Zheng, Yonghao
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2698 - 2705
• a: 27.4526 ± 0.0015 Å
• b: 6.8462 ± 0.0004 Å
• c: 18.7535 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3524.6 ± 0.4 ų
• Cell temperature: 184 ± 2 K
• Ambient diffraction temperature: 184 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No